Roy, Srabani and Komath, Snehasudha and Bagchi, Biman (1993) Dielectric friction and solvation dynamics: Novel results on relaxation in dipolar liquids. In: Proceedings of the Indian Academy of Sciences - Chemical Sciences, 105 (1). pp. 79-85.
Dielect.pdf - Published Version
In this article we present a new, general but simple, microscopic expression for time-dependent solvation energy of an ion. This expression is surprisingly similar to the expression for the time-dependent dielectric friction on a moving ion. We show that both the Chandra-Bagchi and the Fried-Mukamel formulations of solvation dynamics can be easily derived from this expression. This expression leads to an almost perfect agreement of the theory with all the available computer simulation results. Second, we show here for the first time that the mobility of a light solute ion can significantly accelerate its own solvation, specially in the underdamped limit. The latter result is also in excellent agreement with the computer simulations.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to Indian Academy of Sciences.|
|Keywords:||Ionic mobility;solvation dynamics;dense dipolar liquids.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||10 Feb 2011 08:38|
|Last Modified:||10 Feb 2011 08:38|
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